BDBM4994 (3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid::CHEMBL674::GS4071::Oseltamivir carboxylate

SMILES CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O

InChI Key InChIKey=NENPYTRHICXVCS-YNEHKIRRSA-N

Data  8 KI  99 IC50

PDB links: 42 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 4994   

TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.140nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/HH/1580/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate a...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.100nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Jena/5555/09(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.180nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Sachsen/6/02(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.150nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Berlin/10/04(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.120nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Jena/5258/2009(H1N1) using Na-star as substrate preincubated for 10 to 30 mins followed by substra...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.440nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Hong Kong/68(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed by substrate...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50: >100nMAssay Description:Inhibition of neuraminidase H274Y mutant in Oseltamivir-resistant Influenza A virus A/Berlin/55/08(H1N1) using Na-star as substrate preincubated for ...More data for this Ligand-Target Pair
TargetNeuraminidase(Influenza A virus)
Christian-Albrechts University Of Kiel

Curated by ChEMBL
LigandPNGBDBM4994((3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)c...)
Affinity DataIC50:  0.170nMAssay Description:Inhibition of neuraminidase in Influenza A virus A/Rheinland-Pfalz/3911/03(H3N2) using Na-star as substrate preincubated for 10 to 30 mins followed b...More data for this Ligand-Target Pair